CID 484962

Chembl6971

Structural Information

Molecular Formula
C15H16Cl2N4
SMILES
C1CC2=C(CC1CC3=CC(=C(C=C3)Cl)Cl)C(=NC(=N2)N)N
InChI
InChI=1S/C15H16Cl2N4/c16-11-3-1-9(7-12(11)17)5-8-2-4-13-10(6-8)14(18)21-15(19)20-13/h1,3,7-8H,2,4-6H2,(H4,18,19,20,21)
InChIKey
AGHASEULGKEPPP-UHFFFAOYSA-N
Compound name
6-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

322.0752 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.082476 174.2
[M+Na]+ 345.064418 183.8
[M-H]- 321.067924 177.2
[M+NH4]+ 340.109023 187.5
[M+K]+ 361.038358 175.7
[M+H-H2O]+ 305.072460 166.1
[M+HCOO]- 367.073401 183.4
[M+CH3COO]- 381.089051 183.7
[M+Na-2H]- 343.049866 176.7
[M]+ 322.07465142 172.8
[M]- 322.07574858 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.